NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3786 8.2549 119.7117 55.1342 30.7638 177.3018 5 E 4.7314 8.9981 120.8065 55.6943 33.4624 173.8040 6 C 4.6076 9.0603 125.4500 57.1283 42.5217 171.3548 7 D 4.7110 7.9813 123.9335 53.0567 39.3337 173.7208 8 Y 4.8758 7.1359 118.8812 59.3025 42.1756 179.1422 9 C 3.9590 7.5959 120.0118 57.1752 41.1926 174.5026 10 G 4.2378 8.0477 110.2539 48.3553 0.0000 171.7830 11 T 4.3541 7.8001 116.4976 63.0818 69.8591 172.7704 12 D 4.9205 7.9684 120.0922 53.1814 44.9378 175.1519 13 I 3.8891 8.3881 120.9841 62.2476 39.9201 171.8373 14 E 3.5449 8.6933 127.5637 56.2801 26.9524 172.8826 15 P 3.9762 0.0000 0.0000 63.2949 29.8972 175.4063 16 G 4.1926 8.5689 108.1569 47.1002 0.0000 174.0887 17 T 4.2152 7.5593 108.0653 62.5236 70.4357 175.7202 18 G 3.9324 9.0728 111.8576 44.7250 0.0000 171.7496 19 T 4.7680 8.2664 110.9866 60.9882 71.2224 172.2687 20 M 5.1764 8.6056 123.0306 53.5285 33.6953 174.7926 21 F 5.4839 8.7766 120.9349 56.1808 42.4751 174.9879 22 V 5.5557 8.3391 113.7069 59.6461 36.2547 173.6164 23 H 4.9838 8.6446 115.2779 53.5402 31.8959 173.3812 24 K 4.0712 8.7246 121.0016 58.3633 32.5295 175.1389 25 D 4.3257 8.4469 118.7704 58.6042 37.4725 175.7934 26 G 3.8079 8.0799 101.8862 45.9168 0.0000 173.0515 27 A 4.7357 8.0262 123.1443 50.7788 23.7816 176.2737 28 T 4.7003 8.2378 108.7867 59.6453 72.4709 174.3132 29 T 4.2636 7.7856 109.2454 59.4279 68.0226 172.3475 30 H 4.3878 7.8910 121.0646 57.2357 29.7954 175.5451 31 F 5.6794 8.9106 121.3207 55.5268 43.0003 174.3133 32 C 4.7089 9.0634 114.0608 55.7528 40.8613 177.3241 33 S 4.7720 8.5965 111.2311 56.0463 64.9535 172.3732 34 S 3.9893 8.5505 122.5922 62.1090 61.8205 176.2098 35 K 3.6959 8.1940 118.4905 59.9986 31.9315 177.1902 36 C 4.0187 8.4007 112.9397 59.2513 40.7522 175.9762 37 E 2.9137 8.6153 115.5270 57.4097 29.8710 178.5154 38 N 4.2789 6.7364 116.5572 56.3730 37.7702 176.8792 39 N 4.2306 8.5282 117.5838 56.1517 38.7697 176.6013 40 A 4.1126 7.9735 120.5592 55.6572 18.5341 178.7228 41 D 4.5574 8.4681 116.6646 58.0219 41.0820 179.3260 42 L 4.0083 8.2190 119.7469 55.3323 41.7322 179.4727 *44 R 4.4599 8.0079 112.0598 55.7983 30.1743 177.2456 45 E 4.5103 9.2628 114.2658 53.4776 31.6151 172.8937 46 A 3.5859 8.8215 124.9641 56.7375 17.9923 177.5449 47 R 4.6070 8.8343 120.2176 54.1745 28.8616 175.9151 48 N 4.9921 8.4365 129.7473 53.6844 38.6625 175.8873 49 L 3.9445 8.4200 120.9919 54.6902 42.8094 175.1353 50 E 4.5490 8.0449 119.9467 57.4519 31.4792 178.7496 51 W 4.4395 7.6633 117.6017 59.8122 31.1425 179.2717 52 T 4.4053 7.8157 115.3548 61.5575 68.4247 175.8873 53 D 4.3949 8.9288 119.0682 56.2418 41.1705 176.3219 54 T 3.9581 7.2492 111.1871 63.4977 69.3197 175.5018 55 A 4.0238 7.9900 122.8843 54.5586 18.7798 177.6855 56 R 4.8746 7.3319 117.9498 56.5511 30.2043 175.8299 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 R 8.25 4.38 0.00 1.86 1.75 0.00 3.09 0.00 0.00 3.18 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 5 E 9.00 4.73 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 6 C 9.06 4.61 0.00 3.09 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.98 4.71 0.00 3.05 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.14 4.88 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 7.60 3.96 0.00 3.26 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.80 4.35 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 12 D 7.97 4.92 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.39 3.89 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.22 0.90 0.00 0.00 14 E 8.69 3.54 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 15 P 0.00 3.98 0.00 2.18 1.99 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.05 0.00 16 G 8.57 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.56 4.22 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 G 9.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.27 4.77 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 20 M 8.61 5.18 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 21 F 8.78 5.48 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.34 5.56 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.94 0.00 0.00 23 H 8.64 4.98 0.00 3.16 3.30 0.00 5.49 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.72 4.07 0.00 1.74 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 25 D 8.45 4.33 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.08 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.03 4.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.24 4.70 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 29 T 7.79 4.26 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 30 H 7.89 4.39 0.00 3.16 3.25 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.91 5.68 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 9.06 4.71 0.00 3.03 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.60 4.77 0.00 4.09 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.55 3.99 0.00 3.88 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.19 3.70 0.00 1.75 1.80 0.00 1.90 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 36 C 8.40 4.02 0.00 3.12 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.62 2.91 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 38 N 6.74 4.28 0.00 3.04 3.08 0.00 0.00 7.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.53 4.23 0.00 2.74 2.89 0.00 0.00 7.03 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.97 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.47 4.56 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.22 4.01 0.00 2.00 1.71 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 *44 R 8.01 4.46 0.00 1.94 1.54 0.00 2.58 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 45 E 9.26 4.51 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.97 0.00 46 A 8.82 3.59 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.83 4.61 0.00 1.87 2.01 0.00 3.36 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 48 N 8.44 4.99 0.00 3.03 2.97 0.00 0.00 6.78 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.42 3.94 0.00 1.78 2.03 1.14 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.04 4.55 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 51 W 7.66 4.44 0.00 3.32 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.82 4.41 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 53 D 8.93 4.39 0.00 2.75 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.25 3.96 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 55 A 7.99 4.02 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.33 4.87 0.00 2.08 2.20 0.00 3.11 0.00 0.00 3.07 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.